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Molecular Dynamics: An Investigation of Cobalt Sputtering Rate on Aluminum

Sarah Godfrey
Department of Materials Science & Engineering, University of Tennessee

This page shows visualizations of Co sputtered on Al substrate at varying sputtering rates.

Molecular dynamics is a useful tool in simulation a complex process such as sputtering. Sputtering involves bombarding a material with energetic particles within a vacuum, leading to the ejection and deposition of atoms on and into the substrate. This study focuses on aluminum sputtered with cobalt atoms for use in electronic and medical devices. Simulations were carried out using LAMMPS at STP and zero force on the particles. Using OVITO modeling software, it was observed that the increase in sputtering rate led to deeper penetration of cobalt particles as well as increased energy and temperature when particles entered the substrate. This study proves that molecular dynamics is ideal for the simulation of sputtering due to the relatively low time and money cost when compared to a physical vacuum chamber.

Interactive Structures


3.40 nm/s sputtering rate

3.42 nm/s sputtering rate

3.68 nm/s sputtering rate

Color Legend:

    ● = Aluminum

    ● = Cobalt

References

[1] G. Humaira and S. Nadeem, "Sputtering Deposition," in Thin Films, Y. Dongfang Ed. Rijeka: IntechOpen, 2022, p. Ch. 2.

[2] D. R. Baer et al., "Comparison of the Sputter Rates of Oxide Films Relative to the Sputter Rate of SiO2," (in English), Journal of Vacuum Science and Technology A--Vacuum, Surfaces and Films, 28(5):1060-1072, vol. 28, no. PNNL-SA-67505; 8221b; KP1704020; TRN: US201020%%126, p. Medium: X, 2010, doi: 10.1116/1.3456123.

[3] A. P. Thompson et al., "LAMMPS - a flexible simulation tool for particle-based materials modeling at the atomic, meso, and continuum scales," Computer Physics Communications, vol. 271, p. 108171, 2022/02/01/ 2022, doi: https://doi.org/10.1016/j.cpc.2021.108171.

[4] G. P. Purja Pun, V. Yamakov, and Y. Mishin, "Interatomic potential for the ternary Ni–Al–Co system and application to atomistic modeling of the B2–L10 martensitic transformation," Modelling and Simulation in Materials Science and Engineering, vol. 23, no. 6, p. 065006, 2015/07/17 2015, doi: 10.1088/0965-0393/23/6/065006.

posted: May 2024.
updated: May 2024.